1.0 2020-03-26 03:40:05 UTC 2020-04-22 19:36:25 UTC BMDB0102494 TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) TAG(14:1/22:6/14:1) Triacylglycerol Triglyceride Tracylglycerol(50:8) Tracylglycerol(14:1/22:6/14:1) 1-Myristoleoyl-2-docosahexaenoyl-3-myristoleoyl-glycerol TG(50:8) TAG(50:8) 1-(9Z-Tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z-tetradecenoyl)-glycerol TG(14:1/22:6/14:1) TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) C53H86O6 819.2463 818.642440484 1,3-bis[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate 1,3-bis[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H]C(COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,14-19,23-24,26-27,29,32,38,41,50H,4-6,8-9,11-13,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-,32-29-,41-38- RVCVYZULRBBERW-SSHNTDFZSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 9.91 ALOGPS logs -8.24 ALOGPS logp 16.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 819.2463 ChemAxon mono_mass 818.642440484 ChemAxon smiles [H]C(COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C53H86O6 ChemAxon inchi InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3/h7,10,14-19,23-24,26-27,29,32,38,41,50H,4-6,8-9,11-13,20-22,25,28,30-31,33-37,39-40,42-49H2,1-3H3/b10-7-,17-14-,18-15-,19-16-,24-23-,27-26-,32-29-,41-38- ChemAxon inchikey RVCVYZULRBBERW-SSHNTDFZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.43 ChemAxon polarizability 103.05 ChemAxon rotatable_bond_count 44 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 673009 Specdb::MsMs 673010 Specdb::MsMs 673011 Specdb::MsMs 2619302 Specdb::MsMs 2619303 Specdb::MsMs 2619304 Specdb::MsMs 2686206 Specdb::MsMs 2686207 Specdb::MsMs 2686208 Specdb::MsMs 2719860 Specdb::MsMs 2719861 Specdb::MsMs 2719862 Specdb::MsMs 2724461 Specdb::MsMs 2724462 Specdb::MsMs 2724463 Specdb::MsMs 2959137 Specdb::MsMs 2959138 Specdb::MsMs 2959139 131759209